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Screening compounds

PD-0333941

Also known as 3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid

CAS 501027-49-2Formula C23H22N2O4Molar mass 390.44 g/mol
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PD-0333941 chemical structure, C23H22N2O4, CAS 501027-49-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
501027-49-2
Formula
C23H22N2O4
Molar mass
390.44 g/mol
HS code
293499
Category
Screening compounds

What is PD-0333941?

Plain description, key identifiers and synonyms

PD-0333941 is a chemical substance with the molecular formula C23H22N2O4 and a molar mass of 390.44 g/mol. Its CAS registry number is 501027-49-2. The IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid
CAS number
501027-49-2 CAS number cross-checked
Molecular formula
C23H22N2O4
InChIKey
OMSPUVWUIHNYCS-UHFFFAOYSA-N
InChI
InChI=1S/C23H22N2O4/c1-16-19(24-23(29-16)17-6-3-2-4-7-17)12-15-28-21-9-5-8-20-18(21)10-13-25(20)14-11-22(26)27/h2-10,13H,11-12,14-15H2,1H3,(H,26,27)
SMILES (canonical and isomeric)
CC1=C(N=C(O1)C2=CC=CC=C2)CCOC3=CC=CC4=C3C=CN4CCC(=O)O

Synonyms

  • 3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1H-indol-1-yl}propanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
390.44 g/molcalc.
Exact mass
390.158 Dacalc.
LogP (octanol/water)
4.7calc.
Topological polar surface area
77.49 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
8calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.22calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(-c2nc(CCOc3cccc4[nH]ccc34)co2)cc1

c1ccc(-c2nc(CCOc3cccc4[nH]ccc34)co2)cc1

4 rings, 23 atoms.

No other chemical in our database has this scaffold.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PD-0333941 suppliers

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PD-0333941 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PD-0333941 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for PD-0333941 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PD-0333941, based on the data on this page

What is PD-0333941?

PD-0333941 is a chemical substance with the molecular formula C23H22N2O4 and a molar mass of 390.44 g/mol. Its CAS registry number is 501027-49-2. The IUPAC name is 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indol-1-yl]propanoic acid.

What is the CAS number of PD-0333941?

The CAS registry number of PD-0333941 is 501027-49-2.

What is the molecular formula and weight of PD-0333941?

The molecular formula of PD-0333941 is C23H22N2O4 and its molar mass is 390.44 g/mol.

What is PD-0333941 used for?

Known uses and roles of PD-0333941 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PD-0333941 hazardous?

No GHS hazard classification for PD-0333941 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PD-0333941?

PD-0333941 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PD-0333941?

Post a free request on CompoundList and suppliers of PD-0333941 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PD-0333941?

Suppliers quote PD-0333941 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PD-0333941

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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